Monomers

Fumaric acid, di(2-methoxyethyl) ester

Identifiers

IUPAC name
bis(2-methoxyethyl) (E)-but-2-enedioate
InchI
InChI=1S/C10H16O6/c1-13-5-7-15-9(11)3-4-10(12)16-8-6-14-2/h3-4H,5-8H2,1-2H3/b4-3+
InchI Key
INJVHPRSHKTTBD-ONEGZZNKSA-N
SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Canonical SMILES
COCCOC(=O)C=CC(=O)OCCOC
Isomeric SMILES
COCCOC(=O)/C=C/C(=O)OCCOC
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H16O6
Heavy Atom Count
16
Molecular Weight
232.232
Exact Molecular Weight
232.0947
Valence Electrons
92
Radical Electrons
0
tPSA
71.06
MolLogP
-0.0782
H Bond Acceptors
6
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 32 31  0  0  0  0  0  0  0  0999 V2000
   -6.4786   -0.5016    0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9406    0.7214    0.5553 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5630    0.7840    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8185   -0.2077    1.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4371   -0.0978    1.0072 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8891   -0.3265   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6012   -0.6420   -1.2015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4283   -0.2021   -0.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3354    0.1319    0.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7686    0.2601    0.4170 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    0.5844    1.4206 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4258    0.0567   -0.7668 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8133    0.1793   -0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6082   -0.7516   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9798   -0.6576   -0.2394 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5203    0.5768    0.0722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1052   -1.3522    0.7702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3801   -0.6946   -0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5724   -0.4381    0.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    0.8066   -0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2744    1.8033    0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0375   -0.0112    2.2924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0754   -1.2711    0.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027   -0.3860   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048    0.3085    1.5547 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0161   -0.1126   -2.0110 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1712    1.2126   -0.8493 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3950   -0.6803    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3625   -1.8275   -0.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1376    1.4046   -0.5496 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3261    0.8305    1.1543 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6110    0.4999   -0.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  3
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
  1 17  1  0
  1 18  1  0
  1 19  1  0
  3 20  1  0
  3 21  1  0
  4 22  1  0
  4 23  1  0
  8 24  1  0
  9 25  1  0
 13 26  1  0
 13 27  1  0
 14 28  1  0
 14 29  1  0
 16 30  1  0
 16 31  1  0
 16 32  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers